| SpectraBase Compound ID | 6aJVMcyNmC3 |
|---|---|
| InChI | InChI=1S/C22H20O5/c1-3-26-21(24)19(22(25)27-4-2)20(23)18-11-7-10-16-15-9-6-5-8-14(15)12-13-17(16)18/h5-13,19H,3-4H2,1-2H3 |
| InChIKey | WGQRSQSAKRHNRW-UHFFFAOYSA-N |
| Mol Weight | 364.4 g/mol |
| Molecular Formula | C22H20O5 |
| Exact Mass | 364.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6UtzTM5wpmJ |
|---|---|
| Name | Diethyl 1-phenanthroyl malonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.131073739 u |
| Formula | C22H20O5 |
| InChI | InChI=1S/C22H20O5/c1-3-26-21(24)19(22(25)27-4-2)20(23)18-11-7-10-16-15-9-6-5-8-14(15)12-13-17(16)18/h5-13,19H,3-4H2,1-2H3 |
| InChIKey | WGQRSQSAKRHNRW-UHFFFAOYSA-N |
| Molecular Weight | 364.397 g/mol |
| SMILES | C1=CC=CC2=C1C=CC1=C2C=CC=C1C(C(C(OCC)=O)C(OCC)=O)=O |